1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-thiophen-2-ylethylamino)ethanone

C17H16FNO2S — CID 110824379

IUPAC1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-thiophen-2-ylethylamino)ethanone
SMILESCc1c(C(=O)CNCCc2cccs2)oc2ccc(F)cc12
InChIInChI=1S/C17H16FNO2S/c1-11-14-9-12(18)4-5-16(14)21-17(11)15(20)10-19-7-6-13-3-2-8-22-13/h2-5,8-9,19H,6-7,10H2,1H3
InChIKeyUPXSKPQVALHKJK-UHFFFAOYSA-N
MW317.38 g/mol
LogP3.96
Rot. Bonds6

About 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-thiophen-2-ylethylamino)ethanone

1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-thiophen-2-ylethylamino)ethanone (PubChem CID 110824379) has the molecular formula C17H16FNO2S and a molecular weight of 317.38 g/mol. Its IUPAC name is 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-thiophen-2-ylethylamino)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-thiophen-2-ylethylamino)ethanone
PubChem CID110824379
Molecular FormulaC17H16FNO2S
Molecular Weight317.38 g/mol
Exact Mass317.09
IUPAC Name1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-thiophen-2-ylethylamino)ethanone
SMILESCc1c(C(=O)CNCCc2cccs2)oc2ccc(F)cc12
InChIInChI=1S/C17H16FNO2S/c1-11-14-9-12(18)4-5-16(14)21-17(11)15(20)10-19-7-6-13-3-2-8-22-13/h2-5,8-9,19H,6-7,10H2,1H3
InChIKeyUPXSKPQVALHKJK-UHFFFAOYSA-N
XLogP3.96
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111350830
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]ethanone
CID 110828757
2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone
CID 105092745
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 8952610
5-fluoro-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 55391194
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-4,4-dimethylpentan-1-one
CID 105093299
2-(2-benzoylanilino)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone
CID 110828740
2-[[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]amino]-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone
CID 110828689
2-(2-thiophen-2-ylethylamino)acetic acid
CID 28888414
ethyl 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate
CID 47257353
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-[[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]ethanone
CID 110828718
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine
CID 105134166

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-thiophen-2-ylethylamino)ethanone?
The IUPAC name of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-thiophen-2-ylethylamino)ethanone (CID 110824379) is 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-thiophen-2-ylethylamino)ethanone.
What is the SMILES notation for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-thiophen-2-ylethylamino)ethanone?
The canonical SMILES for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-thiophen-2-ylethylamino)ethanone is Cc1c(C(=O)CNCCc2cccs2)oc2ccc(F)cc12.
What is the InChIKey of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-thiophen-2-ylethylamino)ethanone?
The InChIKey is UPXSKPQVALHKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2S/c1-11-14-9-12(18)4-5-16(14)21-17(11)15(20)10-19-7-6-13-3-2-8-22-13/h2-5,8-9,19H,6-7,10H2,1H3.
What are the key properties of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-thiophen-2-ylethylamino)ethanone?
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-thiophen-2-ylethylamino)ethanone has a molecular weight of 317.38 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-thiophen-2-ylethylamino)ethanone is sourced from PubChem (CID 110824379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).